2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(3-fluorophenyl)methyl]-3-phenylpropanamide
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(3-fluorophenyl)methyl]-3-phenylpropanamide
2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(3-fluorophenyl)methyl]-3-phenylpropanamide
Compound characteristics
Compound ID: | V004-7213 |
Compound Name: | 2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(3-fluorophenyl)methyl]-3-phenylpropanamide |
Molecular Weight: | 547.03 |
Molecular Formula: | C30 H28 Cl F N4 O3 |
Smiles: | CCN1C2CN(C(Cc3ccccc3)C(NCc3cccc(c3)F)=O)C(C=2C(c2ccc(cc2)[Cl])NC1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.6574 |
logD: | 4.6169 |
logSw: | -5.043 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.966 |
InChI Key: | POICLUSOSBTNIS-UHFFFAOYSA-N |